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{
"id": "jvasp-78363",
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{
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{
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"structure_string": "As2 C6 N6\n1.0\n5.613429 0.002836 0.970558\n1.468809 5.417858 0.970558\n0.172629 0.132129 8.604132\nAs C N\n2 6 6\ndirect\n0.299562 0.296930 0.732970 As\n0.703070 0.700439 0.267030 As\n0.966091 0.238315 0.749836 C\n0.899883 0.668329 0.052062 C\n0.331672 0.100118 0.947939 C\n0.761686 0.033909 0.250164 C\n0.443433 0.985609 0.638729 C\n0.014392 0.556567 0.361271 C\n0.539517 0.815951 0.572216 N\n0.368173 0.992394 0.073646 N\n0.778001 0.233137 0.247715 N\n0.766863 0.222000 0.752285 N\n0.007607 0.631828 0.926354 N\n0.184050 0.460483 0.427784 N\n",
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{
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"structure_string": "Sn1 H14 C8 O4\n1.0\n4.990890 0.008553 1.016105\n0.419588 6.040346 0.568295\n-0.051544 -0.185070 8.239165\nSn H C O\n1 14 8 4\ndirect\n0.607027 0.691043 0.708034 Sn\n0.239659 0.320751 0.025044 H\n0.851419 0.484850 0.937257 H\n0.734881 -0.021530 0.445718 H\n0.902980 0.036515 0.609147 H\n0.554696 0.124325 0.621113 H\n0.959251 0.326694 0.187681 H\n0.657954 0.286621 0.868506 H\n0.517978 0.138287 0.234932 H\n0.224552 0.173718 0.390226 H\n0.190162 0.581139 0.291121 H\n0.521117 0.539856 0.170608 H\n0.065237 0.890928 0.215802 H\n0.895331 0.006077 0.059707 H\n0.973123 0.360211 0.743562 H\n0.086475 0.001065 0.102542 C\n0.383254 0.483670 0.282388 C\n0.328915 0.240315 0.269467 C\n0.149491 0.232324 0.140863 C\n0.298871 0.891876 0.973509 C\n0.794090 0.417995 0.830697 C\n0.713478 -0.003453 0.578662 C\n0.498175 0.530171 0.430385 C\n0.329466 0.581888 0.565799 O\n0.545984 0.912842 0.962870 O\n0.221617 0.774233 0.867169 O\n0.746599 0.528438 0.427707 O\n",
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{
"id": "jvasp-53615",
"created_at": "2022-09-04T14:36:48.592454Z",
"updated_at": "2022-09-04T14:36:48.592471Z",
"structure_string": "H2 C4 O4\n1.0\n4.857934 -0.050609 -1.354817\n-2.811809 3.961822 -1.354737\n0.026616 0.050931 5.043859\nH C O\n2 4 4\ndirect\n0.480284 0.025299 0.505583 H\n0.974329 0.477680 0.452009 H\n0.338285 0.562071 0.900356 C\n0.440472 0.346364 0.786836 C\n0.560657 0.661770 0.222425 C\n0.653607 0.441523 0.095132 C\n0.148224 0.635579 0.783804 O\n0.637369 0.850504 0.487873 O\n0.359942 0.151911 0.511854 O\n0.846928 0.358193 0.205121 O\n",
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{
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"structure_string": "Li1 Al1 Si1\n1.0\n3.645961 0.000000 2.104997\n1.215320 3.437445 2.104997\n0.000000 0.000000 4.209993\nLi Al Si\n1 1 1\ndirect\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Si\n",
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{
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"created_at": "2022-09-04T14:37:58.245264Z",
"updated_at": "2022-09-04T14:37:58.245288Z",
"structure_string": "Si6 O12\n1.0\n7.052401 -0.081213 -2.711535\n-3.923082 5.861091 -2.711535\n-0.043970 -0.081213 7.555585\nSi O\n6 12\ndirect\n0.202114 0.724790 0.925494 Si\n0.724790 0.925494 0.202114 Si\n0.797887 0.275211 0.074507 Si\n0.275211 0.074507 0.797887 Si\n0.925494 0.202114 0.724790 Si\n0.074506 0.797887 0.275211 Si\n0.760722 -0.004720 0.449852 O\n0.216279 0.852678 0.162258 O\n0.147322 0.837743 0.783721 O\n0.162257 0.216280 0.852678 O\n0.837743 0.783721 0.147323 O\n-0.004721 0.449852 0.760722 O\n0.449852 0.760722 -0.004720 O\n0.239279 0.004721 0.550148 O\n0.852678 0.162257 0.216280 O\n0.550148 0.239279 0.004722 O\n0.783721 0.147323 0.837744 O\n0.004721 0.550148 0.239279 O\n",
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{
"id": "jvasp-117981",
"created_at": "2022-09-04T14:38:52.068724Z",
"updated_at": "2022-09-04T14:38:52.068759Z",
"structure_string": "Ca1 N1 O1\n1.0\n4.094211 -0.000000 0.000000\n-2.047105 3.545691 -0.000000\n0.000000 0.000000 4.111984\nCa N O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.000000 N\n0.666666 0.333334 0.000000 O\n",
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{
"id": "jvasp-24028",
"created_at": "2022-09-04T14:37:39.464379Z",
"updated_at": "2022-09-04T14:37:39.464388Z",
"structure_string": "Mg1 H4 Cl2 O2\n1.0\n3.644886 0.002425 -0.355693\n-0.653528 5.491883 -0.811048\n-0.025234 -0.017816 5.589698\nMg H Cl O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.836088 0.223338 0.605665 H\n0.163915 0.394335 0.776662 H\n0.163914 0.776661 0.394336 H\n0.836087 0.605665 0.223338 H\n0.439374 0.756152 0.756153 Cl\n0.560628 0.243848 0.243848 Cl\n0.000001 0.239617 0.760383 O\n-0.000000 0.760382 0.239617 O\n",
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{
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"created_at": "2022-09-04T14:36:20.404025Z",
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"structure_string": "P6 H22 N8 O18\n1.0\n7.945088 0.085809 -1.688498\n0.139327 7.708887 -2.070497\n0.023084 -0.013818 8.457747\nP H N O\n6 22 8 18\ndirect\n0.711991 0.164311 0.463008 P\n0.288009 0.835689 0.536991 P\n0.996140 0.689140 0.296956 P\n0.003860 0.310861 0.703044 P\n0.811751 0.965484 0.148319 P\n0.188249 0.034517 0.851680 P\n0.484857 0.248267 0.946062 H\n0.581867 0.240245 0.787247 H\n0.418133 0.759755 0.212752 H\n0.339245 0.505339 0.901416 H\n0.660755 0.494661 0.098584 H\n0.234722 0.703639 0.932500 H\n0.765278 0.296361 0.067500 H\n0.226581 0.570472 0.057532 H\n0.773419 0.429529 0.942468 H\n0.243626 0.361139 0.521856 H\n0.515143 0.751733 0.053938 H\n0.584397 0.661234 0.581942 H\n0.415603 0.338766 0.418058 H\n0.771024 0.558010 0.654202 H\n0.228977 0.441991 0.345797 H\n0.914672 0.817078 0.736619 H\n0.085328 0.182922 0.263380 H\n0.739206 0.839210 0.821658 H\n0.260794 0.160791 0.178342 H\n0.263113 0.073232 0.348501 H\n0.756375 0.638861 0.478144 H\n0.736888 0.926768 0.651498 H\n0.454829 0.678921 0.108188 N\n0.304076 0.611555 0.990806 N\n0.695925 0.388445 0.009193 N\n0.545172 0.321079 0.891812 N\n0.718727 0.657387 0.595454 N\n0.781845 0.819628 0.705569 N\n0.218155 0.180372 0.294431 N\n0.281273 0.342614 0.404546 N\n0.884172 0.129531 0.140580 O\n0.115829 0.870469 0.859420 O\n0.882412 0.442992 0.782176 O\n0.117588 0.557009 0.217824 O\n0.168936 0.367721 0.687484 O\n0.831064 0.632279 0.312516 O\n0.337017 0.902997 0.403988 O\n0.662983 0.097003 0.596012 O\n0.386988 0.686648 0.590222 O\n0.028221 0.157246 0.798884 O\n0.971779 0.842754 0.201115 O\n0.282431 -0.000338 0.694874 O\n0.717569 0.000338 0.305126 O\n0.088414 0.788671 0.483762 O\n0.911586 0.211330 0.516237 O\n0.694161 0.864294 -0.000173 O\n0.613013 0.313353 0.409778 O\n0.305840 0.135707 0.000172 O\n",
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{
"id": "jvasp-98532",
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"structure_string": "Si24 O48\n1.0\n7.825457 -0.000000 2.664989\n2.589076 11.837656 5.219259\n-0.126374 -0.075677 13.192892\nSi O\n24 48\ndirect\n0.752266 0.623100 0.494138 Si\n0.866176 0.378432 0.269887 Si\n0.485507 0.769887 0.878431 Si\n0.698033 0.235498 0.735497 Si\n0.752266 0.994138 0.123099 Si\n0.130498 0.994138 0.123099 Si\n0.060662 0.377869 0.877869 Si\n0.485507 0.378432 0.269887 Si\n0.133825 0.230113 0.121568 Si\n0.869504 0.376901 0.505862 Si\n0.316399 0.622131 0.122131 Si\n0.866176 0.769887 0.878431 Si\n0.869504 0.005862 0.876900 Si\n0.669028 0.764503 0.264502 Si\n0.133825 0.621568 0.730113 Si\n0.514494 0.621568 0.730113 Si\n0.939340 0.622131 0.122131 Si\n0.330973 0.235498 0.735497 Si\n0.130498 0.623100 0.494138 Si\n0.247735 0.005862 0.876900 Si\n0.683602 0.377869 0.877869 Si\n0.301968 0.764503 0.264502 Si\n0.514494 0.230113 0.121568 Si\n0.247735 0.376901 0.505862 Si\n0.666307 0.640796 0.615879 O\n0.228635 0.900035 0.220286 O\n0.145278 0.297846 0.797846 O\n0.044241 0.368935 0.542585 O\n0.261084 0.000000 -0.000000 O\n0.738917 0.000000 -0.000000 O\n0.848914 0.401087 0.901087 O\n0.876042 0.682516 0.004207 O\n0.240970 0.702154 0.202154 O\n0.738917 0.500000 0.500000 O\n0.123959 0.317484 0.995793 O\n0.331951 0.198060 0.138038 O\n0.044241 0.042585 0.868934 O\n0.485712 0.264288 0.764288 O\n0.922982 0.359204 0.384121 O\n0.666306 0.115879 0.140796 O\n0.077019 0.115879 0.140796 O\n0.000001 0.714321 0.785679 O\n0.854723 0.702154 0.202154 O\n0.437236 0.682516 0.004207 O\n0.651045 0.900035 0.220286 O\n0.331952 0.638038 0.698060 O\n0.261084 0.500000 0.500000 O\n0.668050 0.801940 0.861961 O\n0.651045 0.720286 0.400035 O\n0.771366 0.279714 0.599965 O\n0.228635 0.720286 0.400035 O\n0.500000 0.285679 0.214321 O\n0.077020 0.640796 0.615879 O\n0.514289 0.735712 0.235711 O\n0.151088 0.598913 0.098913 O\n0.876042 0.504207 0.182516 O\n0.348957 0.099965 0.779714 O\n0.668050 0.361962 0.301940 O\n0.333695 0.359204 0.384121 O\n0.123959 0.495793 0.817484 O\n0.437236 0.504207 0.182516 O\n0.955761 0.631066 0.457414 O\n0.348957 0.279714 0.599965 O\n0.333695 0.884121 0.859203 O\n0.955761 0.957415 0.131065 O\n0.771366 0.099965 0.779714 O\n0.500001 0.714321 0.785679 O\n0.000000 0.285679 0.214321 O\n0.922982 0.884121 0.859203 O\n0.562765 0.495793 0.817484 O\n0.759032 0.297846 0.797846 O\n0.562765 0.317484 0.995793 O\n",
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{
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"updated_at": "2022-09-04T14:36:04.288222Z",
"structure_string": "K2 Ti1 Be1\n1.0\n-2.730028 2.730028 3.860848\n2.730028 -2.730028 3.860848\n2.730028 2.730028 -3.860848\nK Ti Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 Ti\n0.750000 0.250000 0.500000 Be\n",
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}